Strategies for mechanism reduction for large hydrocarbons: n-heptane

Combustion and Flame

Volumn 154, Issue 1-2, 2008, Pages 153-163

  Lu, Tianfeng ^a   Law, Chung K ^a  

^a Princeton University   (United States)

Author keywords

Computational singular perturbation; Diffusive species bundling; Directed relation graph; Isomer lumping; Mechanism reduction; n Heptane; Quasi steady state approximation

Indexed keywords

COMPUTATION THEORY; GRAPH THEORY; OXIDATION; SENSITIVITY ANALYSIS;

COMPUTATIONAL SINGULAR PERTURBATION; DIFFUSIVE SPECIES BUNDLING; DIRECTED RELATION GRAPH; ISOMER LUMPING; MECHANISM REDUCTION; QUASI-STEADY-STATE APPROXIMATION;

PARAFFINS;

HEPTANE; HYDROCARBON;

COMPUTATION THEORY; GRAPH THEORY; OXIDATION; PARAFFINS; SENSITIVITY ANALYSIS;

ARTICLE; CHEMICAL REACTION; DIFFUSION; ISOMER; OXIDATION; PRIORITY JOURNAL; REDUCTION; SENSITIVITY ANALYSIS; STEADY STATE; THERMAL ANALYSIS; VALIDATION STUDY;

EID: 44449112592     PISSN: 00102180     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.combustflame.2007.11.013     Document Type: Article

References (52)

1. Peters N., and Williams F.A. Combust. Flame 68 2 (1987) 185-207
2. Seshadri K., and Peters N. Combust. Flame 73 1 (1988) 23-44
3. Sung C.J., Law C.K., and Chen J.Y. Proc. Combust. Inst. 27 (1998) 295-304
4. Sung C.J., Law C.K., and Chen J.Y. Combust. Flame 125 (2001) 906-919
5. Massias A., Diamantis D., Mastorakos E., and Goussis D.A. Combust. Flame 117 4 (1999) 685-708
6. Lu T.F., and Law C.K. Proc. Combust. Inst. 30 1 (2005) 1333-1341
7. Sankaran R., Hawkes E.R., Chen J.H., Lu T.F., and Law C.K. Proc. Combust. Inst. 31 1 (2007) 1291-1298
8. Peters N., Paczko G., Seiser R., and Seshadri K. Combust. Flame 128 1-2 (2002) 38-59
9. Curran H.J., Gaffuri P., Pitz W.J., and Westbrook C.K. Combust. Flame 114 1-2 (1998) 149-177
10. Curran H.J., Gaffuri P., Pitz W.J., and Westbrook C.K. Combust. Flame 129 3 (2002) 253-280
11. (2007). http://www-cmls.llnl.gov/?url=science_and_technology-chemistry-combustion-nc7h16
12. Blouch J.D., and Law C.K. Proc. Combust. Inst. 28 (2000) 1679-1686
13. Chakir A., Belliman M., Boettner J.C., and Cathonnet M. Int. J. Chem. Kinet. 24 (1992) 385-410
14. Lindstedt R.P., and Maurice L.Q. Combust. Sci. Technol. 107 (1995) 317-353
15. Held T.J., Marchese A.J., and Dryer F.L. Combust. Sci. Technol. 123 (1997) 107-146
16. Bollig M., Pitsch H., Hewson J., and Seshadri K. Proc. Combust. Inst. 26 (1996) 729-737
17. Liu S.L., Hewson J.C., Chen J.H., and Pitsch H. Combust. Flame 137 3 (2004) 320-339
18. Seiser R., Pitsch H., Seshadri K., Pitz W.J., and Curran H.J. Proc. Combust. Inst. 28 (2000) 2029-2037
19. P. Pepiot, H. Pitsch, in: 4th Joint Meeting of the U.S. Sections of the Combustion Institute, Drexel University, Philadelphia, March 21-23, 2005
20. Lu T.F., and Law C.K. Combust. Flame 144 1-2 (2006) 24-36
21. Saylam A., Ribaucour M., Pitz W.J., and Minetti R. Int. J. Chem. Kinet. 39 4 (2007) 181-196
22. Rabitz H., Kramer M., and Dacol D. Annu. Rev. Phys. Chem. 1134 (1983) 419-461
23. Turanyi T. J. Math. Chem. 5 (1990) 203-248
24. Tomlin A.S., Turanyi T., and Pilling M.J. (1997), Comprehensive Chemical Kinetics, Elsevier pp. 293-437
25. Vajda S., Valko P., and Turanyi T. Int. J. Chem. Kinet. 17 (1985) 55-81
26. Bhattacharjee B., Schwer D.A., Barton P.I., and Green W.H. Combust. Flame 135 (2003) 191-208
27. Wang H., and Frenklach M. Combust. Flame 87 3-4 (1991) 365-370
28. Turanyi T. New J. Chem. 14 (1990) 795-803
29. Lu T.F., and Law C.K. Combust. Flame 146 3 (2006) 472-483
30. Zheng X.L., Lu T.F., and Law C.K. Proc. Combust. Inst. 31 1 (2007) 367-375
31. Maas U., and Pope S.B. Combust. Flame 88 3-4 (1992) 239-264
32. Ren Z., and Pope S.B. Combust. Flame 147 4 (2006) 243-261
33. Lam S.H., and Goussis D.A. Proc. Combust. Inst. 22 (1988) 931-941
34. Lam S.H., and Gousis D.A. Int. J. Chem. Kinet. 26 (1994) 461-486
35. Valorani M., Najm H.N., and Goussis D.A. Combust. Flame 134 1-2 (2003) 35-53
36. Valorani M., Creta F., Goussis D.A., Lee J.C., and Najm H.N. Combust. Flame 146 1-2 (2006) 29-51
37. S.H. Lam, in: 11th International Conference on Numerical Combustion, Granada, Spain, April 23-26, 2006
38. Pope S.B. Combust. Theory Modeling 1 (1997) 41-63
39. Yang B., and Pope S.B. Combust. Flame 112 (1998) 85-112
40. Ren Z., and Pope S.B. Proc. Combust. Inst. 30 1 (2005) 1293-1300
41. Turanyi T., and Toth J. Acta Chim. Hung. 129 (1992) 903-914
42. Chen J.Y. Combust. Sci. Technol. 57 (1988) 89-94
43. Turanyi T., Tomlin A.S., and Pilling M.J. J. Phys. Chem. 97 (1993) 163-172
44. Soyhan H.S., Mauss F., and Sorusbay C. Combust. Sci. Technol. 174 1-2 (2002) 73-91
45. Lovas T., Nilsson D., and Mauss F. Proc. Combust. Inst. 28 2 (2000) 1809-1815
46. Lu T.F., Ju Y., and Law C.K. Combust. Flame 126 1-2 (2001) 1445-1455
47. Ren Z., and Pope S.B. Combust. Flame 137 1-2 (2004) 251-254
48. Lu T.F., and Law C.L. J. Phys. Chem. A 110 49 (2006) 13202-13208
49. Lu T.F., and Law C.K. Combust. Flame 148 3 (2007) 117-126
50. Jain A.K., Duin R.P.W., and Mao J.C. IEEE Trans. Pattern Anal. Mach. Intell. 22 1 (2000) 4-37
51. Davis S.G., and Law C.K. Proc. Combust. Inst. 27 1 (1998) 521-527
52. Huang Y., Sung C.J., and Eng J.A. Combust. Flame 139 3 (2004) 239-251